Molecule ID: mol20201
SMILES: COC(=O)Nc1ccccc1Nc1c2ccccc2nc2ccccc12
InChI: InChI=1S/C21H17N3O2/c1-26-21(25)24-19-13-7-6-12-18(19)23-20-14-8-2-4-10-16(14)22-17-11-5-3-9-15(17)20/h2-13H,1H3,(H,22,23)(H,24,25)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.24 | Baltruschat ChEMBL | 1 » 0 |
| 7.24 | Baltruschat ChEMBL | 1 » 0 |